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Compound Detail

CHEMBL4099478

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Oc1ccccc1/C=N\Nc1nnc(Cl)c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099478
Phase Preclinical
Structure Type MOL
InChI Key JTHUSVSZBDFYFR-MFOYZWKCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.7
MW (Da)
3.43
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClN4O
MW 298.73
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
28119201 10.1016/j.ejmech.2017.01.022 Leishmania braziliensis 2

Data from ChEMBL 36 via Core Engine